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Compare vibrational frequencies in CCCBDB for CH2OH (Hydroxymethyl radical)

QCISD/6-31G**

18 11 26 13 55
Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency Scaled
Frequency
Harm.
diff
Fund.
diff
Symmetry Harmonic
Frequency
Fundamental
Frequency
Comment
1 A 3915 3686   36 A   3650  
2 A 3337 3142           
3 A 3193 3005           
4 A 1540 1450   -9 A   1459  
5 A 1399 1317   -17 A   1334  
6 A 1220 1149   -27 A   1176  
7 A 1086 1022   -26 A   1048  
8 A 754 710   228 A   482  
9 A 447 421   187 A   234  
The calculated vibrational frequencies were scaled by 0.9414

See section Calculated; Vibrations; Scale Factors; Set scaling factors to change the scale factors used here.
See section Calculated; Vibrations; Scale Factors; Calculate a scale factor to determine the least squares best scaling factor.
See section Calculated; Vibrations; Scale Factors; Scale factor uncertainty for information on where the above scaling factor is from.